SCHEMBL5335702

SCHEMBL5335702

CN1CCN(C(=O)c2cc(Cl)c3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)n3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
CNR1 P21554 1/20 0.48
AKT1 P31749 2/20 0.48
AKT2 P31751 2/20 0.48
KMT2A Q03164 2/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
AOC3 Q16853 1/20 0.44
GRIA1 P42261 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
GMNN O75496 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSPO P30536 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5380026 0.96 GABRA2 (0.49) POLBGABRA2GABRB2CNR1AKT1
SCHEMBL5351210 0.90 CNR1 (0.54) CNR1AKT1AKT2
SCHEMBL5333366 0.90 POLB (0.49) POLBGABRA2GABRB2CNR1AKT1
SCHEMBL5342230 0.89 CNR1 (0.56) CNR1AKT1AKT2
SCHEMBL5339747 0.88 POLB (0.50) POLBGABRA2GABRB2KMT2AMKNK1
SCHEMBL5337506 0.87 PHGDH (0.51) CNR1AKT1AKT2KMT2ALMNA
SCHEMBL5318714 0.83 POLB (0.56) POLBGABRA2GABRB2CNR1KMT2A
SCHEMBL5317995 0.80 CNR1 (0.52) GABRA2GABRB2CNR1AKT1AKT2
SCHEMBL5341500 0.79 KMT2A (0.60) POLBGABRA2GABRB2CNR1AKT1
SCHEMBL5340948 0.78 EPAS1 (0.46) CNR1AKT1AKT2TP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed